Data files for the molecular modelling course
☆14Jan 26, 2024Updated 2 years ago
Alternatives and similar repositories for molmod-data
Users that are interested in molmod-data are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- WaterDock-2.0 implementation with Akshay Sridhar☆22Nov 2, 2023Updated 2 years ago
- ☆12Jan 15, 2016Updated 10 years ago
- These are the input files for MD simulation in Gromacs 5.0+☆14Apr 10, 2023Updated 3 years ago
- R scripts used for MYC analyses☆10Jan 30, 2018Updated 8 years ago
- ☆13Oct 7, 2024Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- Boosting Docking-Based Virtual Screening with Deep Learning☆32Apr 2, 2020Updated 6 years ago
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Parse a SDF file and convert it to an array of objects☆11May 25, 2026Updated 5 months ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Nov 7, 2016Updated 9 years ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- ☆12Mar 26, 2020Updated 6 years ago
- Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structu…☆28Nov 6, 2019Updated 6 years ago
- Instructions for Building Software on Various Platforms☆17May 12, 2025Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Dock Multiple Ligands with AutoDock Vina with one Command☆11Jan 10, 2018Updated 8 years ago
- pymol implementation of WaterDock with Akshay Sridhar (@akshay-sridhar) and refactoring work by Patrick McCubbin (@mccubbinp)☆11Mar 25, 2024Updated 2 years ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆78Aug 23, 2022Updated 4 years ago
- ☆37Oct 20, 2022Updated 4 years ago
- ☆11Jun 13, 2023Updated 3 years ago
- LIGSIFT: An open-source tool for ligand structural alignment and virtual screening☆15Mar 4, 2018Updated 8 years ago
- Automatically exported from code.google.com/p/acpype☆12May 11, 2015Updated 11 years ago
- ☆13Jul 11, 2017Updated 9 years ago
- ☆10Dec 24, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A novel approach to pose selection in protein-ligand docking based on graph theory.☆20Nov 22, 2016Updated 9 years ago
- A custom menubar for Mac using Übersicht.☆19Dec 2, 2022Updated 3 years ago
- MD pharmacophores and virtual screening☆35Dec 15, 2023Updated 2 years ago
- AnceTran2.0: R package for transcriptome evolution analysis based on RNA-seq expression data or ChIP-seq TF-binding data☆12May 19, 2019Updated 7 years ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Dec 10, 2025Updated 10 months ago
- python simulation interface for molecular modeling. To cite this software publication: https://www.sciencedirect.com/science/article/pii/…☆13Aug 24, 2016Updated 10 years ago
- ☆32Apr 18, 2025Updated last year
- 2D/3D generation for small compounds☆32Feb 2, 2020Updated 6 years ago
- ☆30May 24, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 6 years ago
- Tools, tutorials, and wiki for GROMACS☆21Jul 21, 2020Updated 6 years ago
- Python toolkit for pre- and post-processing of FMO calculations☆17Oct 4, 2026Updated 3 weeks ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Mar 9, 2021Updated 5 years ago
- The MULTICOM protein structure system. This repository includes the source code and documents of both template-based and template-free mo…☆17Nov 2, 2021Updated 4 years ago
- Uni-Dock-Benchmarks contains a curated collection of datasets and benchmarking tests for evaluating the performance and accuracy of the U…☆18Feb 11, 2026Updated 8 months ago
- pythonic interface to virtual screening software☆95Sep 4, 2025Updated last year